N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide

C21H28N2O3S — CID 132658898

IUPACN-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
SMILESCCC(NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-6-20(18-9-8-15(3)16(4)14-18)22-21(24)17-10-12-19(13-11-17)23(7-2)27(5,25)26/h8-14,20H,6-7H2,1-5H3,(H,22,24)
InChIKeyDXBJYCLHSHFULG-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.97
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide

N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide (PubChem CID 132658898) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
PubChem CID132658898
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
SMILESCCC(NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-6-20(18-9-8-15(3)16(4)14-18)22-21(24)17-10-12-19(13-11-17)23(7-2)27(5,25)26/h8-14,20H,6-7H2,1-5H3,(H,22,24)
InChIKeyDXBJYCLHSHFULG-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100603395
N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 132658891
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133167206
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895471
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132665209
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132669081
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132669688
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 30222970
N-[(1S)-1-(4-methylphenyl)propyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 92680361

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide (CID 132658898) is N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide is CCC(NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide?
The InChIKey is DXBJYCLHSHFULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-20(18-9-8-15(3)16(4)14-18)22-21(24)17-10-12-19(13-11-17)23(7-2)27(5,25)26/h8-14,20H,6-7H2,1-5H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide?
N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 132658898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).